IBS-ZINC05100558 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 44 0 0 1 0 0 0 0 0999 V2000 0.6680 0.5590 -2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.8430 -1.7480 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8290 -1.5860 -2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -0.9690 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.4360 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -2.9640 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -2.3710 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -3.0920 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -2.7540 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -1.7510 -1.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -3.5600 -0.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -4.7000 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 -5.6340 0.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -6.5090 1.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -6.1880 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -5.0270 0.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -4.2340 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -4.4290 0.7850 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0310 -3.2440 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 -3.7210 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6770 -3.4080 -2.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5380 -2.6200 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1460 -2.1420 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8980 -2.4580 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1100 -2.2270 -2.8680 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -1.0790 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 0.7260 -2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 0.6480 -3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 1.3000 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -0.6280 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -0.3620 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -3.0170 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -2.5120 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -6.7380 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 -4.3360 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9850 -3.7790 -3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8190 -1.5270 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 -2.0890 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -0.2480 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -1.1610 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 M END